#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klm n LYS 2 N 0.00 -2.02 -3.71 3.17 4.01 -1.26 -5.01 118.16 113.35 2klm n LYS 2 Ca 0.00 1.85 -0.25 0.00 -0.51 0.00 0.00 58.31 59.40 2klm n LYS 2 Cb 0.00 -3.08 0.00 0.00 -0.51 0.00 0.00 35.03 31.45 2klm n LYS 2 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2klm s LYS 3 N -1.14 2.28 0.03 1.97 2.20 -1.26 -4.93 119.74 118.88 2klm s LYS 3 Ca -0.02 -1.92 -0.30 0.00 -0.36 0.00 0.00 55.97 53.36 2klm s LYS 3 Cb 0.00 -2.22 -0.06 0.00 -1.51 0.00 0.00 37.83 34.05 2klm s LYS 3 CO 0.38 -0.64 1.39 0.54 -0.36 0.00 0.00 175.35 176.66 2klm s VAL 4 N -2.73 3.65 -0.04 4.02 0.11 -1.26 -3.39 120.40 120.75 2klm s VAL 4 Ca 0.40 1.08 0.08 0.00 -2.93 0.00 0.00 61.98 60.61 2klm s VAL 4 Cb -0.03 -3.70 -0.12 0.00 -1.53 0.00 0.00 36.38 31.01 2klm s VAL 4 CO 0.25 0.02 0.11 1.33 -3.33 0.00 0.00 175.10 173.48 2klm n VAL 5 N 4.48 0.26 -3.70 2.04 0.24 -0.94 -4.94 118.33 115.77 2klm n VAL 5 Ca 0.13 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.34 61.95 2klm n VAL 5 Cb 0.44 -0.22 -0.18 0.00 -1.47 0.00 0.00 33.84 32.41 2klm n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2klm s ALA 6 N -2.41 0.41 -0.38 2.33 0.00 -0.74 -5.04 121.76 115.94 2klm s ALA 6 Ca -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 2klm s ALA 6 Cb 0.04 -0.68 0.08 0.00 0.00 0.00 0.00 23.12 22.56 2klm s ALA 6 CO 0.35 -0.51 0.15 0.54 0.00 0.00 0.00 175.76 176.29 2klm s VAL 7 N 2.10 3.49 -0.93 0.00 0.11 -1.26 0.47 120.40 124.38 2klm s VAL 7 Ca 0.05 -1.62 -0.23 0.00 -2.93 0.00 0.00 61.98 57.25 2klm s VAL 7 Cb -0.12 -3.19 0.07 0.00 -1.53 0.00 0.00 36.38 31.61 2klm s VAL 7 CO -0.04 -0.44 1.31 -0.69 -3.33 0.00 0.00 175.10 171.91 2klm s VAL 8 N 1.27 4.09 -0.47 2.04 1.01 -0.62 -4.85 120.40 122.86 2klm s VAL 8 Ca 0.02 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2klm s VAL 8 Cb -0.22 -4.95 0.03 0.00 0.00 0.00 0.00 36.38 31.24 2klm s VAL 8 CO -0.01 -1.80 0.93 -0.75 0.00 0.00 0.00 175.10 173.47 2klm s LYS 9 N 4.54 3.50 0.05 2.72 2.20 -1.26 -1.38 119.74 130.11 2klm s LYS 9 Ca 0.39 0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 56.00 2klm s LYS 9 Cb -0.04 -3.94 0.04 0.00 -1.51 0.00 0.00 37.83 32.38 2klm s LYS 9 CO -0.04 -1.26 0.52 1.47 -0.36 0.00 0.00 175.35 175.68 2klm n LEU 10 N 7.21 0.00 -4.98 5.43 -0.00 -0.68 -5.04 117.00 118.94 2klm n LEU 10 Ca 0.06 -0.48 -0.19 0.00 -0.00 0.00 0.00 56.01 55.39 2klm n LEU 10 Cb 0.48 1.11 0.02 0.00 -0.00 0.00 0.00 43.42 45.03 2klm n LEU 10 CO 0.64 -0.16 0.18 -1.10 -0.00 0.00 0.00 177.39 176.95 2klm s GLN 11 N -2.02 2.55 -0.27 1.47 -0.21 -1.26 -0.81 119.66 119.11 2klm s GLN 11 Ca 0.12 -1.50 -0.24 0.00 0.02 0.00 0.00 55.36 53.76 2klm s GLN 11 Cb -0.01 -2.59 0.09 0.00 1.00 0.00 0.00 33.01 31.50 2klm s GLN 11 CO 0.01 -0.48 0.82 -1.17 -2.12 0.00 0.00 175.29 172.35 2klm s LEU 12 N -4.41 -0.66 0.38 2.90 0.20 -0.69 -4.75 118.68 111.65 2klm s LEU 12 Ca 0.54 1.26 -0.19 0.00 0.69 0.00 0.00 54.13 56.43 2klm s LEU 12 Cb -0.07 2.27 -0.10 0.00 -0.43 0.00 0.00 46.19 47.87 2klm s LEU 12 CO 0.33 -0.22 0.87 -2.16 -0.29 0.00 0.00 176.35 174.88 2klm s PRO 13 N 0.41 4.17 0.14 0.98 0.04 -1.26 -1.84 135.00 137.65 2klm s PRO 13 Ca 0.00 0.96 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 2klm s PRO 13 Cb -0.05 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 2klm s PRO 13 CO -0.03 0.06 0.55 0.00 0.04 0.00 0.00 177.00 177.62 2klm s ALA 14 N -2.06 3.58 -1.15 8.56 0.00 0.26 -4.10 121.76 126.85 2klm s ALA 14 Ca 0.58 -0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 2klm s ALA 14 Cb -0.10 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2klm s ALA 14 CO 0.15 0.45 0.78 0.41 0.00 0.00 0.00 175.76 177.56 2klm n GLY 15 N 0.84 -0.93 0.00 0.00 0.00 -1.24 -1.97 105.19 101.89 2klm n GLY 15 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2klm n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2klm n LYS 16 N -4.10 0.00 -3.82 1.61 4.76 -1.26 -4.78 118.16 110.58 2klm n LYS 16 Ca -0.11 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.02 2klm n LYS 16 Cb 0.60 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.75 2klm n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2klm s ALA 17 N 0.00 3.92 0.22 7.82 0.00 -1.26 -4.80 121.76 127.65 2klm s ALA 17 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 2klm s ALA 17 Cb 0.00 -1.94 0.04 0.00 0.00 0.00 0.00 23.12 21.22 2klm s ALA 17 CO 0.00 0.72 0.79 0.95 0.00 0.00 0.00 175.76 178.23 2klm s THR 18 N -1.61 0.00 0.00 0.00 -4.23 -1.26 -4.91 115.64 103.63 2klm s THR 18 Ca 0.37 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2klm s THR 18 Cb -0.12 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 2klm s THR 18 CO 0.27 0.00 0.38 -2.65 -0.54 0.00 0.00 174.62 172.08 2klm n PRO 19 N -0.45 0.14 -2.82 3.99 -0.02 -1.26 -3.57 135.00 131.02 2klm n PRO 19 Ca -0.06 -0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.28 2klm n PRO 19 Cb 0.60 -1.47 0.07 0.00 -0.02 0.00 0.00 33.50 32.67 2klm n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klm n ALA 20 N 2.20 -0.04 -1.87 3.55 0.00 -1.26 -5.07 120.51 118.02 2klm n ALA 20 Ca 0.01 -1.88 -0.30 0.00 0.00 0.00 0.00 53.44 51.28 2klm n ALA 20 Cb 0.07 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 18.48 2klm n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2klm s PRO 21 N -0.35 2.50 0.51 0.00 0.04 -1.23 -4.94 135.00 131.52 2klm s PRO 21 Ca 0.26 0.35 0.19 0.00 0.04 0.00 0.00 61.00 61.83 2klm s PRO 21 Cb 0.31 -1.99 1.27 0.00 0.04 0.00 0.00 34.50 34.13 2klm s PRO 21 CO -0.06 -1.27 2.06 -1.00 0.04 0.00 0.00 177.00 176.77 2klm h PRO 22 N -0.82 0.08 0.37 0.56 0.13 -1.97 -2.69 132.00 127.65 2klm h PRO 22 Ca -0.45 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2klm h PRO 22 Cb 1.28 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2klm h PRO 22 CO 0.64 0.05 -0.18 0.28 -0.23 0.00 0.00 178.00 178.57 2klm h VAL 23 N 0.08 0.28 0.00 1.56 2.07 -1.98 -3.45 116.25 114.81 2klm h VAL 23 Ca 0.15 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2klm h VAL 23 Cb 0.48 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2klm h VAL 23 CO -0.01 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.25 2klm n GLY 24 N 0.25 0.63 0.35 2.17 0.00 -1.02 -0.89 105.19 106.69 2klm n GLY 24 Ca -0.08 0.82 -0.11 0.00 0.00 0.00 0.00 46.02 46.65 2klm n GLY 24 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2klm h PRO 25 N 0.00 -0.42 0.00 1.61 0.11 -1.88 5.45 132.00 136.87 2klm h PRO 25 Ca 0.00 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 2klm h PRO 25 Cb 0.00 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2klm h PRO 25 CO 0.00 -0.28 0.72 0.00 -0.21 0.00 0.00 178.00 178.23 2klm h ALA 26 N -0.57 1.58 0.00 -0.75 0.00 -1.36 1.15 119.26 119.32 2klm h ALA 26 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2klm h ALA 26 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2klm h ALA 26 CO -0.34 -0.58 -1.16 -0.11 0.00 0.00 0.00 179.25 177.06 2klm n LEU 27 N -2.11 0.00 0.20 0.00 7.94 0.21 -4.71 117.00 118.54 2klm n LEU 27 Ca -0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 2klm n LEU 27 Cb 0.72 0.05 -0.07 0.00 0.53 0.00 0.00 43.42 44.65 2klm n LEU 27 CO 0.02 0.05 0.69 1.23 -1.11 0.00 0.00 177.39 178.27 2klm h GLY 28 N 0.49 -0.61 -3.77 -3.96 0.00 1.98 -2.47 103.07 94.73 2klm h GLY 28 Ca -0.05 0.29 -0.35 0.00 0.00 0.00 0.00 47.33 47.22 2klm h GLY 28 CO 0.00 -0.24 0.35 -1.06 0.00 0.00 0.00 176.54 175.60 2klm n GLN 29 N -5.38 1.95 0.01 4.80 1.13 -0.88 -4.04 117.38 114.96 2klm n GLN 29 Ca -0.09 -1.69 -0.11 0.00 -1.94 0.00 0.00 57.00 53.17 2klm n GLN 29 Cb 0.29 -1.75 -0.14 0.00 0.11 0.00 0.00 30.24 28.75 2klm n GLN 29 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 2klm h HIS 30 N 1.95 0.11 0.00 1.08 2.07 -1.68 -3.49 115.15 115.19 2klm h HIS 30 Ca 0.30 -0.08 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 2klm h HIS 30 Cb 0.89 -0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.87 2klm h HIS 30 CO 1.01 1.12 0.00 0.41 -3.07 0.00 0.00 177.93 177.41 2klm n GLY 31 N 1.56 3.18 0.00 6.13 0.00 -1.26 -5.03 105.19 109.77 2klm n GLY 31 Ca -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2klm n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 32 N 0.00 0.00 -3.73 4.61 0.00 -1.26 -4.99 120.51 115.14 2klm n ALA 32 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2klm n ALA 32 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 2klm n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2klm s ASN 33 N -2.48 0.43 0.00 0.00 0.01 -1.26 -5.07 114.94 106.57 2klm s ASN 33 Ca 0.00 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2klm s ASN 33 Cb 0.00 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.49 2klm s ASN 33 CO 0.00 -0.13 0.36 -0.38 -1.51 0.00 0.00 177.10 175.44 2klm n ILE 34 N 4.33 0.00 -0.32 0.60 2.08 -1.26 -2.20 119.36 122.59 2klm n ILE 34 Ca -0.24 0.79 0.31 0.00 0.56 0.00 0.00 62.75 64.17 2klm n ILE 34 Cb 0.50 -1.66 0.56 0.00 -0.75 0.00 0.00 39.64 38.30 2klm n ILE 34 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 2klm n MET 35 N -1.66 -0.05 -0.02 0.38 1.56 -1.26 0.30 117.12 116.36 2klm n MET 35 Ca 0.00 1.26 -0.10 0.00 -0.27 0.00 0.00 57.70 58.60 2klm n MET 35 Cb 0.00 -2.30 -0.04 0.00 2.15 0.00 0.00 33.22 33.03 2klm n MET 35 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 2klm h GLU 36 N 0.00 0.13 -0.06 2.12 4.57 -1.98 1.89 114.58 121.25 2klm h GLU 36 Ca 0.79 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.98 2klm h GLU 36 Cb 2.17 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.70 2klm h GLU 36 CO -0.67 0.09 -0.24 0.35 -1.18 0.00 0.00 179.01 177.36 2klm h PHE 37 N 0.14 -0.71 -0.67 0.92 3.57 0.51 -1.11 116.94 119.59 2klm h PHE 37 Ca 0.06 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2klm h PHE 37 Cb 0.03 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 2klm h PHE 37 CO -0.10 -0.24 0.37 0.28 -2.23 0.00 0.00 178.31 176.39 2klm h VAL 38 N -0.25 0.97 -0.54 1.41 2.07 -1.06 -1.49 116.25 117.37 2klm h VAL 38 Ca 0.01 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2klm h VAL 38 Cb 0.30 0.22 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 2klm h VAL 38 CO -0.19 0.13 -0.28 0.50 0.02 0.00 0.00 177.57 177.74 2klm h LYS 39 N 0.69 -0.14 -0.50 1.57 1.63 0.35 1.48 116.57 121.65 2klm h LYS 39 Ca 0.30 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.02 2klm h LYS 39 Cb 0.18 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 2klm h LYS 39 CO -0.18 -0.09 -0.04 0.00 -3.45 0.00 0.00 179.45 175.69 2klm h ALA 40 N 1.10 1.00 -1.23 5.00 0.00 -0.53 0.11 119.26 124.71 2klm h ALA 40 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2klm h ALA 40 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2klm h ALA 40 CO -0.62 0.61 0.00 1.19 0.00 0.00 0.00 179.25 180.42 2klm n PHE 41 N -4.19 0.00 -0.29 0.00 3.01 0.35 -0.92 117.46 115.42 2klm n PHE 41 Ca 0.02 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.63 2klm n PHE 41 Cb 0.33 -0.29 0.29 0.00 -0.01 0.00 0.00 39.48 39.80 2klm n PHE 41 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2klm n ASN 42 N -1.38 -0.05 -0.12 4.37 3.02 0.48 0.27 115.26 121.85 2klm n ASN 42 Ca 0.00 1.45 0.01 0.00 -0.03 0.00 0.00 54.58 56.01 2klm n ASN 42 Cb 0.00 -0.55 0.28 0.00 -0.61 0.00 0.00 39.78 38.90 2klm n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2klm h ALA 43 N 1.72 1.46 0.07 5.41 0.00 -0.77 0.63 119.26 127.78 2klm h ALA 43 Ca 0.55 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 55.08 2klm h ALA 43 Cb 1.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2klm h ALA 43 CO -0.79 0.44 -1.50 0.00 0.00 0.00 0.00 179.25 177.41 2klm h ALA 44 N 1.54 0.29 0.00 0.00 0.00 0.57 -2.23 119.26 119.44 2klm h ALA 44 Ca 0.20 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2klm h ALA 44 Cb 0.04 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2klm h ALA 44 CO -0.03 0.91 0.00 1.79 0.00 0.00 0.00 179.25 181.92 2klm h THR 45 N -0.48 0.00 0.13 0.00 1.35 0.20 0.89 112.91 114.99 2klm h THR 45 Ca -0.35 -0.03 -0.30 0.00 -0.55 0.00 0.00 66.41 65.18 2klm h THR 45 Cb 1.65 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2klm h THR 45 CO -0.04 0.00 -1.56 0.00 -0.25 0.00 0.00 175.52 173.67 2klm h ALA 46 N 2.00 0.21 0.00 6.62 0.00 0.22 -3.27 119.26 125.04 2klm h ALA 46 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2klm h ALA 46 Cb 0.03 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2klm h ALA 46 CO 0.00 0.93 0.00 -0.91 0.00 0.00 0.00 179.25 179.27 2klm h ASN 47 N -0.20 0.00 -3.24 0.00 -0.26 -0.25 -3.39 115.58 108.24 2klm h ASN 47 Ca -0.33 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 54.73 2klm h ASN 47 Cb 1.85 0.00 -0.34 0.00 -1.06 0.00 0.00 38.32 38.77 2klm h ASN 47 CO 0.07 0.00 -0.87 0.00 -1.06 0.00 0.00 177.43 175.57 2klm s MET 48 N -3.80 3.01 1.00 0.81 0.23 -0.23 -5.08 119.30 115.24 2klm s MET 48 Ca -0.03 -0.86 -0.19 0.00 -1.03 0.00 0.00 55.69 53.58 2klm s MET 48 Cb 0.09 -2.39 -0.14 0.00 -1.53 0.00 0.00 34.83 30.86 2klm s MET 48 CO 0.29 0.04 -0.86 0.41 -2.03 0.00 0.00 175.02 172.87 2klm n GLY 49 N 3.92 -4.19 3.74 3.16 0.00 -1.26 -4.69 105.19 105.86 2klm n GLY 49 Ca -0.20 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2klm n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2klm s ASP 50 N -1.07 4.65 0.00 1.61 -4.77 -1.26 -4.63 116.67 111.19 2klm s ASP 50 Ca 0.41 2.46 0.00 0.00 -3.30 0.00 0.00 52.55 52.11 2klm s ASP 50 Cb -0.13 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 2klm s ASP 50 CO 0.79 -1.97 0.00 0.00 0.70 0.00 0.00 175.17 174.69 2klm n ALA 51 N -2.09 0.00 -3.38 2.11 0.00 -0.83 -4.89 120.51 111.42 2klm n ALA 51 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2klm n ALA 51 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2klm n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2klm s ILE 52 N -3.95 -0.03 -0.05 0.00 1.01 -1.26 0.89 121.20 117.82 2klm s ILE 52 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 2klm s ILE 52 Cb 0.00 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.29 2klm s ILE 52 CO 0.00 0.04 0.25 0.68 0.00 0.00 0.00 174.94 175.91 2klm s VAL 53 N 0.63 0.04 0.45 2.92 -7.23 -0.76 -4.88 120.40 111.57 2klm s VAL 53 Ca -0.05 -0.33 -0.21 0.00 -1.81 0.00 0.00 61.98 59.58 2klm s VAL 53 Cb -0.06 -0.47 -0.09 0.00 0.56 0.00 0.00 36.38 36.31 2klm s VAL 53 CO -0.03 -0.18 1.02 -2.16 -0.31 0.00 0.00 175.10 173.43 2klm s PRO 54 N -0.73 4.00 -0.02 4.82 0.04 -1.26 -1.71 135.00 140.14 2klm s PRO 54 Ca -0.08 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 2klm s PRO 54 Cb -0.04 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2klm s PRO 54 CO 0.02 -0.26 0.08 0.14 0.04 0.00 0.00 177.00 177.02 2klm s VAL 55 N -1.96 0.03 -0.53 -0.36 -7.23 0.01 -4.73 120.40 105.63 2klm s VAL 55 Ca 0.64 -0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.58 2klm s VAL 55 Cb -0.16 -0.21 0.15 0.00 0.56 0.00 0.00 36.38 36.73 2klm s VAL 55 CO 0.20 -0.14 0.33 -1.61 -0.31 0.00 0.00 175.10 173.57 2klm s GLU 56 N -0.44 1.70 -1.04 4.82 2.02 -1.26 -1.69 118.70 122.82 2klm s GLU 56 Ca -0.05 -2.52 -0.25 0.00 0.02 0.00 0.00 54.97 52.17 2klm s GLU 56 Cb -0.03 -2.69 -0.15 0.00 0.10 0.00 0.00 34.13 31.36 2klm s GLU 56 CO 0.00 -1.22 2.09 0.42 0.02 0.00 0.00 175.26 176.57 2klm s ILE 57 N -0.33 3.24 -0.78 -1.63 1.01 -0.48 -4.65 121.20 117.57 2klm s ILE 57 Ca 0.22 -0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 2klm s ILE 57 Cb -0.15 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2klm s ILE 57 CO -0.08 -0.45 1.94 -0.89 0.00 0.00 0.00 174.94 175.46 2klm s THR 58 N 13.93 3.39 -0.19 2.92 2.01 -0.19 -1.59 115.64 135.92 2klm s THR 58 Ca 0.78 -0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 2klm s THR 58 Cb -0.05 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2klm s THR 58 CO 0.12 -0.88 0.43 -0.63 -0.69 0.00 0.00 174.62 172.97 2klm s ILE 59 N 9.92 5.18 -0.07 1.82 1.01 0.18 -0.93 121.20 138.31 2klm s ILE 59 Ca 0.70 0.78 -0.05 0.00 0.00 0.00 0.00 60.65 62.09 2klm s ILE 59 Cb -0.09 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2klm s ILE 59 CO 0.08 0.25 0.15 -0.31 0.00 0.00 0.00 174.94 175.11 2klm s TYR 60 N 1.28 3.56 0.63 3.97 1.51 -0.53 -1.78 117.35 125.99 2klm s TYR 60 Ca 0.21 0.44 0.26 0.00 -1.01 0.00 0.00 57.07 56.98 2klm s TYR 60 Cb -0.15 -1.89 1.36 0.00 -0.11 0.00 0.00 41.96 41.18 2klm s TYR 60 CO 0.08 0.69 1.78 0.00 -1.11 0.00 0.00 175.55 176.99 2klm h ALA 61 N 4.48 1.87 0.00 3.71 0.00 -1.89 1.03 119.26 128.46 2klm h ALA 61 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2klm h ALA 61 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2klm h ALA 61 CO 0.63 -0.66 0.00 -3.47 0.00 0.00 0.00 179.25 175.74 2klm n ASP 62 N -3.23 0.00 -2.81 0.00 2.03 -1.26 -4.78 116.55 106.51 2klm n ASP 62 Ca 0.04 -0.33 -0.02 0.00 0.52 0.00 0.00 54.79 55.01 2klm n ASP 62 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2klm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2klm n ARG 63 N -0.73 -1.41 -3.70 -0.67 1.74 0.35 -5.06 116.66 107.18 2klm n ARG 63 Ca 0.02 1.53 -0.11 0.00 -0.77 0.00 0.00 57.85 58.52 2klm n ARG 63 Cb 0.01 -5.21 -0.10 0.00 -1.02 0.00 0.00 32.46 26.14 2klm n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2klm s SER 64 N -2.74 -0.54 -0.50 0.55 1.04 -0.95 -4.97 113.70 105.57 2klm s SER 64 Ca 0.06 0.95 -0.14 0.00 0.48 0.00 0.00 55.95 57.29 2klm s SER 64 Cb -0.02 0.86 0.11 0.00 0.10 0.00 0.00 66.02 67.07 2klm s SER 64 CO 0.66 -0.19 0.44 -0.36 0.98 0.00 0.00 173.24 174.77 2klm s PHE 65 N 1.15 3.28 -0.13 5.02 0.40 -1.26 -1.45 117.98 124.98 2klm s PHE 65 Ca -0.07 -1.29 -0.14 0.00 -0.60 0.00 0.00 56.93 54.83 2klm s PHE 65 Cb -0.07 -3.54 -0.05 0.00 0.51 0.00 0.00 43.02 39.88 2klm s PHE 65 CO -0.10 -0.95 0.31 0.95 0.70 0.00 0.00 175.22 176.13 2klm s THR 66 N 1.57 5.28 -0.30 0.64 -4.23 -0.11 -4.91 115.64 113.58 2klm s THR 66 Ca 0.04 0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 60.98 2klm s THR 66 Cb -0.28 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.09 2klm s THR 66 CO 0.03 0.42 1.07 0.72 -0.54 0.00 0.00 174.62 176.32 2klm s PHE 67 N 0.19 -0.48 -0.38 3.99 -0.71 -1.26 -1.02 117.98 118.30 2klm s PHE 67 Ca 0.18 0.88 -0.08 0.00 -1.04 0.00 0.00 56.93 56.86 2klm s PHE 67 Cb -0.14 0.29 0.05 0.00 -1.21 0.00 0.00 43.02 42.02 2klm s PHE 67 CO 0.06 -0.24 0.19 0.08 -1.34 0.00 0.00 175.22 173.96 2klm s VAL 68 N 1.96 4.13 0.00 -2.49 1.01 -1.26 -5.04 120.40 118.71 2klm s VAL 68 Ca -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.76 2klm s VAL 68 Cb -0.04 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2klm s VAL 68 CO -0.16 -0.32 0.00 0.35 0.00 0.00 0.00 175.10 174.97 2klm n THR 69 N 4.89 0.00 -0.65 3.92 -2.24 -1.26 -5.01 114.28 113.93 2klm n THR 69 Ca -0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 2klm n THR 69 Cb 0.44 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 2klm n THR 69 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2klm n LYS 70 N 0.00 -0.43 -2.70 -0.78 2.85 -1.26 -5.02 118.16 110.82 2klm n LYS 70 Ca 0.00 0.28 -0.02 0.00 -1.05 0.00 0.00 58.31 57.53 2klm n LYS 70 Cb 0.00 -0.52 0.01 0.00 -0.65 0.00 0.00 35.03 33.87 2klm n LYS 70 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2klm n THR 71 N -1.41 -7.84 -2.21 0.58 -1.04 -1.26 -5.00 114.28 96.10 2klm n THR 71 Ca 0.00 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.05 61.39 2klm n THR 71 Cb 0.10 -6.04 -0.01 0.00 -1.82 0.00 0.00 70.33 62.55 2klm n THR 71 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2klm s PRO 72 N -3.15 3.72 -0.26 -2.82 0.04 -1.26 -4.98 135.00 126.29 2klm s PRO 72 Ca 0.05 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 2klm s PRO 72 Cb -0.01 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2klm s PRO 72 CO 0.57 -0.47 1.72 -1.25 0.04 0.00 0.00 177.00 177.61 2klm s PRO 73 N -4.27 3.59 0.00 0.56 0.04 -1.26 -4.57 135.00 129.09 2klm s PRO 73 Ca 0.59 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2klm s PRO 73 Cb -0.12 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2klm s PRO 73 CO 0.37 -1.55 0.00 0.00 0.04 0.00 0.00 177.00 175.86 2klm n ALA 74 N 9.30 0.00 0.20 8.56 0.00 -1.26 -4.92 120.51 132.39 2klm n ALA 74 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.66 2klm n ALA 74 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.96 2klm n ALA 74 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2klm h SER 75 N 0.00 0.00 -1.60 0.00 4.64 -1.93 -0.59 113.55 114.08 2klm h SER 75 Ca 0.00 0.00 0.46 0.00 -0.47 0.00 0.00 61.79 61.78 2klm h SER 75 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 2klm h SER 75 CO 0.00 0.00 1.15 0.10 -0.87 0.00 0.00 176.83 177.21 2klm h TYR 76 N 0.00 0.01 0.00 4.77 -0.00 -1.91 -2.38 116.97 117.46 2klm h TYR 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2klm h TYR 76 Cb 1.50 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.22 2klm h TYR 76 CO 0.00 -0.00 0.00 1.47 -0.00 0.00 0.00 178.16 179.63 2klm n LEU 77 N -4.06 0.00 -0.26 0.10 -0.00 -0.29 -4.81 117.00 107.68 2klm n LEU 77 Ca 0.35 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.55 2klm n LEU 77 Cb 1.64 0.00 0.49 0.00 -0.00 0.00 0.00 43.42 45.56 2klm n LEU 77 CO 0.42 0.00 1.22 0.40 -0.00 0.00 0.00 177.39 179.44 2klm h ILE 78 N 0.00 0.67 -0.64 1.47 2.04 -1.24 0.27 117.51 120.08 2klm h ILE 78 Ca 0.00 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.81 2klm h ILE 78 Cb 0.00 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.19 2klm h ILE 78 CO 0.00 0.08 0.25 0.03 0.00 0.00 0.00 178.15 178.51 2klm h ARG 79 N 0.45 0.42 0.58 2.37 3.08 -1.68 0.91 114.38 120.51 2klm h ARG 79 Ca 0.49 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 2klm h ARG 79 Cb 1.17 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.14 2klm h ARG 79 CO -0.21 0.28 -0.28 -0.22 -1.07 0.00 0.00 179.97 178.47 2klm h LYS 80 N 0.43 -0.75 0.00 0.04 3.64 -0.73 0.36 116.57 119.56 2klm h LYS 80 Ca 0.33 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2klm h LYS 80 Cb 0.42 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2klm h LYS 80 CO -0.32 -0.50 0.28 0.00 -2.27 0.00 0.00 179.45 176.63 2klm h ALA 81 N -1.57 1.27 -2.62 5.00 0.00 -1.13 -3.19 119.26 117.01 2klm h ALA 81 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2klm h ALA 81 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2klm h ALA 81 CO 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.11 2klm n ALA 82 N -1.88 0.00 0.00 0.00 0.00 0.31 -4.53 120.51 114.41 2klm n ALA 82 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2klm n ALA 82 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2klm n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klm n GLY 83 N 2.42 0.60 3.72 0.00 0.00 0.12 -4.14 105.19 107.91 2klm n GLY 83 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2klm n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klm s LEU 84 N 0.00 4.44 0.00 0.99 1.43 -1.22 -4.89 118.68 119.43 2klm s LEU 84 Ca 0.00 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2klm s LEU 84 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2klm s LEU 84 CO 0.00 -0.18 0.00 1.21 0.23 0.00 0.00 176.35 177.61 2klm n GLU 85 N 3.26 0.00 0.00 1.70 2.13 -1.26 -4.92 120.64 121.54 2klm n GLU 85 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2klm n GLU 85 Cb 0.49 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 31.93 2klm n GLU 85 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2klm n LYS 86 N -0.89 4.35 0.00 5.31 2.85 -1.26 -5.14 118.16 123.38 2klm n LYS 86 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2klm n LYS 86 Cb 0.00 -0.36 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 2klm n LYS 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2klm n GLY 87 N 0.00 2.58 0.00 2.58 0.00 -1.26 -5.06 105.19 104.02 2klm n GLY 87 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2klm n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 88 N -3.00 0.04 -0.56 4.61 0.00 -1.26 -5.06 120.51 115.28 2klm n ALA 88 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2klm n ALA 88 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2klm n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2klm n HIS 89 N 0.00 -1.99 -1.21 0.00 8.25 -1.26 -4.60 115.22 114.41 2klm n HIS 89 Ca 0.00 0.34 -0.36 0.00 -0.26 0.00 0.00 57.72 57.43 2klm n HIS 89 Cb 0.26 -0.54 0.06 0.00 1.12 0.00 0.00 29.99 30.89 2klm n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2klm n LYS 90 N -1.47 0.20 -1.61 -0.41 4.01 -1.26 -4.82 118.16 112.80 2klm n LYS 90 Ca 0.00 0.10 -0.43 0.00 -0.51 0.00 0.00 58.31 57.48 2klm n LYS 90 Cb 0.12 -1.66 -0.00 0.00 -0.51 0.00 0.00 35.03 32.98 2klm n LYS 90 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 2klm n PRO 91 N -0.24 1.46 0.00 1.97 -0.02 -1.26 -4.89 135.00 132.01 2klm n PRO 91 Ca 0.09 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2klm n PRO 91 Cb 0.50 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2klm n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2klm n GLY 92 N 1.14 0.79 3.75 -1.23 0.00 -1.26 -5.12 105.19 103.26 2klm n GLY 92 Ca 0.09 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 2klm n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klm s ARG 93 N 1.39 4.44 0.00 1.61 0.52 -1.26 -4.95 118.95 120.70 2klm s ARG 93 Ca 0.00 0.97 0.17 0.00 -0.52 0.00 0.00 55.73 56.35 2klm s ARG 93 Cb 0.00 -3.35 0.49 0.00 0.52 0.00 0.00 34.95 32.61 2klm s ARG 93 CO 0.00 0.33 1.41 -0.85 0.02 0.00 0.00 175.30 176.21 2klm n GLU 94 N 2.68 2.20 -2.99 3.54 0.28 -1.26 -4.78 120.64 120.30 2klm n GLU 94 Ca -0.04 -1.85 -0.44 0.00 -0.16 0.00 0.00 57.16 54.67 2klm n GLU 94 Cb 0.50 -1.42 -0.04 0.00 1.43 0.00 0.00 31.44 31.92 2klm n GLU 94 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2klm s LYS 95 N -1.37 3.19 0.01 3.44 1.02 -1.26 -4.98 119.74 119.80 2klm s LYS 95 Ca 0.35 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 54.79 2klm s LYS 95 Cb 0.19 -4.37 0.07 0.00 -0.52 0.00 0.00 37.83 33.19 2klm s LYS 95 CO 0.25 -1.68 0.65 0.54 -0.92 0.00 0.00 175.35 174.19 2klm s VAL 96 N 3.10 0.00 -0.24 3.17 0.11 -1.26 -5.05 120.40 120.23 2klm s VAL 96 Ca 0.19 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2klm s VAL 96 Cb -0.17 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2klm s VAL 96 CO 0.04 -0.01 0.26 0.61 -3.33 0.00 0.00 175.10 172.68 2klm n GLY 97 N 0.54 -1.84 2.72 6.54 0.00 -1.26 -4.26 105.19 107.62 2klm n GLY 97 Ca -0.18 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 2klm n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klm s ARG 98 N -1.70 -0.06 0.15 1.61 0.52 -1.24 -1.32 118.95 116.93 2klm s ARG 98 Ca 0.11 0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.72 2klm s ARG 98 Cb -0.03 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.99 2klm s ARG 98 CO 0.47 -0.28 -0.14 0.96 0.02 0.00 0.00 175.30 176.33 2klm s ILE 99 N 1.85 1.44 0.54 1.52 -4.36 -1.24 -4.71 121.20 116.23 2klm s ILE 99 Ca 0.01 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 2klm s ILE 99 Cb -0.12 -1.76 0.02 0.00 1.25 0.00 0.00 42.46 41.84 2klm s ILE 99 CO -0.03 -0.53 0.79 0.42 0.24 0.00 0.00 174.94 175.82 2klm s THR 100 N -2.62 3.34 0.08 8.37 -4.23 -1.26 -0.81 115.64 118.52 2klm s THR 100 Ca 0.15 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 59.94 2klm s THR 100 Cb -0.02 -3.28 -0.16 0.00 1.34 0.00 0.00 72.50 70.38 2klm s THR 100 CO 0.04 -0.22 1.66 -0.25 -0.54 0.00 0.00 174.62 175.30 2klm h TRP 101 N 0.08 -0.58 -0.93 3.99 2.91 -1.85 -2.44 115.95 117.13 2klm h TRP 101 Ca -0.45 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 59.66 2klm h TRP 101 Cb 1.27 0.20 -0.07 0.00 -0.51 0.00 0.00 29.16 30.05 2klm h TRP 101 CO 0.42 -0.35 0.58 1.49 -1.03 0.00 0.00 178.44 179.55 2klm h GLU 102 N -0.58 0.95 -0.20 2.65 4.57 -1.98 -0.41 114.58 119.57 2klm h GLU 102 Ca -0.05 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2klm h GLU 102 Cb 0.46 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2klm h GLU 102 CO 0.07 0.63 0.12 1.96 -1.18 0.00 0.00 179.01 180.60 2klm h GLN 103 N 0.98 0.28 0.00 1.92 4.20 -1.92 -0.51 115.11 120.05 2klm h GLN 103 Ca 0.44 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 59.06 2klm h GLN 103 Cb 0.34 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2klm h GLN 103 CO -0.23 0.24 -0.28 -0.39 -0.67 0.00 0.00 178.83 177.50 2klm h VAL 104 N 0.24 1.06 0.00 -0.54 -1.51 -0.94 -1.57 116.25 112.99 2klm h VAL 104 Ca 0.07 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.55 2klm h VAL 104 Cb 0.03 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2klm h VAL 104 CO -0.01 0.27 0.00 0.18 -1.23 0.00 0.00 177.57 176.78 2klm n LEU 105 N -4.01 0.07 -0.30 4.19 4.77 -0.21 0.19 117.00 121.70 2klm n LEU 105 Ca -0.02 0.85 0.08 0.00 -0.03 0.00 0.00 56.01 56.89 2klm n LEU 105 Cb 0.34 -0.43 0.20 0.00 -2.33 0.00 0.00 43.42 41.21 2klm n LEU 105 CO 0.36 -0.43 0.80 -0.08 -1.33 0.00 0.00 177.39 176.72 2klm h GLU 106 N 0.00 0.06 0.00 3.23 4.81 -1.15 3.22 114.58 124.76 2klm h GLU 106 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2klm h GLU 106 Cb 0.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2klm h GLU 106 CO 0.00 0.04 -0.03 0.82 -0.73 0.00 0.00 179.01 179.11 2klm h ILE 107 N 0.07 0.77 -0.06 2.32 2.04 -1.22 -0.53 117.51 120.89 2klm h ILE 107 Ca 0.48 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.23 2klm h ILE 107 Cb 0.90 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2klm h ILE 107 CO -0.79 0.03 0.00 0.00 0.00 0.00 0.00 178.15 177.40 2klm n ALA 108 N -2.42 2.46 -0.38 1.87 0.00 0.79 -4.13 120.51 118.71 2klm n ALA 108 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2klm n ALA 108 Cb 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2klm n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2klm n LYS 109 N 1.05 0.00 -0.17 0.00 4.81 0.89 -4.36 118.16 120.38 2klm n LYS 109 Ca 0.11 0.23 0.08 0.00 -0.87 0.00 0.00 58.31 57.86 2klm n LYS 109 Cb 0.47 -0.69 0.37 0.00 0.02 0.00 0.00 35.03 35.20 2klm n LYS 109 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2klm h GLN 110 N 0.00 0.68 -2.41 1.64 4.20 -1.78 -2.91 115.11 114.53 2klm h GLN 110 Ca 0.00 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2klm h GLN 110 Cb 0.00 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 2klm h GLN 110 CO 0.00 0.45 0.03 1.63 -0.67 0.00 0.00 178.83 180.27 2klm n LYS 111 N -4.48 0.99 -2.85 1.46 4.76 -1.26 -4.08 118.16 112.70 2klm n LYS 111 Ca 0.11 -0.46 -0.12 0.00 -2.87 0.00 0.00 58.31 54.97 2klm n LYS 111 Cb 0.26 -1.70 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 2klm n LYS 111 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2klm n MET 112 N 2.61 1.08 -0.13 1.97 2.81 -1.10 -4.91 117.12 119.45 2klm n MET 112 Ca 0.20 -3.06 -0.06 0.00 -1.81 0.00 0.00 57.70 52.96 2klm n MET 112 Cb 0.46 -1.27 0.02 0.00 -0.71 0.00 0.00 33.22 31.72 2klm n MET 112 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2klm h PRO 113 N 2.90 0.39 0.00 0.03 0.13 -1.88 -3.41 132.00 130.17 2klm h PRO 113 Ca -0.05 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 2klm h PRO 113 Cb 1.11 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2klm h PRO 113 CO 0.42 0.26 -0.06 -0.40 -0.23 0.00 0.00 178.00 177.99 2klm n ASP 114 N -4.93 -0.20 0.00 1.44 5.75 -1.26 -5.06 116.55 112.29 2klm n ASP 114 Ca 0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 2klm n ASP 114 Cb 0.10 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2klm n ASP 114 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2klm n LEU 115 N 0.00 0.00 0.00 -2.12 4.77 -1.26 -4.77 117.00 113.62 2klm n LEU 115 Ca -0.06 0.83 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2klm n LEU 115 Cb 0.31 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2klm n LEU 115 CO -0.03 -0.33 0.00 -3.20 -1.33 0.00 0.00 177.39 172.50 2klm n ASN 116 N -2.17 0.00 -3.48 -1.43 4.05 -1.26 -5.16 115.26 105.81 2klm n ASN 116 Ca 0.00 -0.40 -0.17 0.00 0.45 0.00 0.00 54.58 54.46 2klm n ASN 116 Cb 0.00 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 40.93 2klm n ASN 116 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2klm s THR 117 N 0.00 0.00 0.00 -0.44 -4.23 -1.26 -5.06 115.64 104.65 2klm s THR 117 Ca 0.00 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2klm s THR 117 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2klm s THR 117 CO 0.00 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.43 2klm n THR 118 N -0.55 0.00 -2.89 3.99 -2.24 -1.26 -4.89 114.28 106.44 2klm n THR 118 Ca 0.05 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 2klm n THR 118 Cb 0.63 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 2klm n THR 118 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2klm s ASP 119 N -0.23 7.32 0.21 3.42 1.01 -1.26 -4.96 116.67 122.19 2klm s ASP 119 Ca 0.00 1.72 -0.08 0.00 0.71 0.00 0.00 52.55 54.90 2klm s ASP 119 Cb 0.00 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.57 2klm s ASP 119 CO 0.00 0.04 1.81 -0.07 0.21 0.00 0.00 175.17 177.16 2klm h LEU 120 N 3.56 1.05 -1.49 1.23 3.38 -1.98 -2.26 115.31 118.79 2klm h LEU 120 Ca -0.47 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.48 2klm h LEU 120 Cb 1.20 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2klm h LEU 120 CO 0.66 0.88 0.47 1.05 0.09 0.00 0.00 178.44 181.58 2klm h GLU 121 N 1.14 0.55 0.05 1.13 4.11 -1.97 1.10 114.58 120.69 2klm h GLU 121 Ca 0.28 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.67 2klm h GLU 121 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2klm h GLU 121 CO -0.04 0.37 -0.02 0.00 0.07 0.00 0.00 179.01 179.39 2klm h ALA 122 N 1.64 -0.43 -1.01 1.06 0.00 -1.81 -1.11 119.26 117.60 2klm h ALA 122 Ca 0.33 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.47 2klm h ALA 122 Cb 0.52 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 2klm h ALA 122 CO -0.11 -0.42 0.62 0.00 0.00 0.00 0.00 179.25 179.33 2klm h ALA 123 N -1.90 1.88 0.19 0.00 0.00 -1.42 -0.35 119.26 117.66 2klm h ALA 123 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2klm h ALA 123 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2klm h ALA 123 CO 0.01 -0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.76 2klm h ALA 124 N 1.69 -0.91 -1.46 0.00 0.00 0.12 0.06 119.26 118.75 2klm h ALA 124 Ca 0.62 -0.07 0.43 0.00 0.00 0.00 0.00 54.91 55.89 2klm h ALA 124 Cb 1.24 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 19.36 2klm h ALA 124 CO -0.42 -0.92 1.02 0.00 0.00 0.00 0.00 179.25 178.94 2klm h ARG 125 N -0.36 0.05 0.00 0.00 3.08 0.00 0.87 114.38 118.02 2klm h ARG 125 Ca -0.02 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2klm h ARG 125 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2klm h ARG 125 CO -0.01 0.04 0.00 -0.12 -1.07 0.00 0.00 179.97 178.80 2klm n MET 126 N -4.25 0.00 -0.13 0.04 1.56 -0.10 0.32 117.12 114.56 2klm n MET 126 Ca 0.34 0.40 -0.04 0.00 -0.27 0.00 0.00 57.70 58.13 2klm n MET 126 Cb 1.51 -1.38 0.02 0.00 2.15 0.00 0.00 33.22 35.51 2klm n MET 126 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2klm h ILE 127 N 0.00 0.54 0.00 1.12 1.08 -0.04 2.16 117.51 122.37 2klm h ILE 127 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2klm h ILE 127 Cb 0.00 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2klm h ILE 127 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 2klm n ALA 128 N -2.78 -0.32 -0.33 1.87 0.00 0.13 -0.14 120.51 118.95 2klm n ALA 128 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.66 2klm n ALA 128 Cb 0.24 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.06 2klm n ALA 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2klm h GLY 129 N 0.00 1.54 0.88 0.00 0.00 0.53 2.76 103.07 108.78 2klm h GLY 129 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.39 2klm h GLY 129 CO 0.00 -0.56 0.33 1.76 0.00 0.00 0.00 176.54 178.08 2klm h SER 130 N 0.05 0.54 -0.25 0.19 0.02 0.36 0.47 113.55 114.94 2klm h SER 130 Ca 0.65 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.66 2klm h SER 130 Cb 1.46 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.84 2klm h SER 130 CO -0.83 0.38 -0.08 0.00 -1.14 0.00 0.00 176.83 175.16 2klm h ALA 131 N 1.24 0.14 -0.79 3.77 0.00 0.82 0.42 119.26 124.86 2klm h ALA 131 Ca 0.22 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.40 2klm h ALA 131 Cb 0.02 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 2klm h ALA 131 CO -0.10 -0.49 0.26 -0.09 0.00 0.00 0.00 179.25 178.84 2klm h ARG 132 N -0.03 0.34 0.11 0.00 1.12 0.43 0.92 114.38 117.26 2klm h ARG 132 Ca 0.12 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 2klm h ARG 132 Cb 0.22 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.09 2klm h ARG 132 CO -0.27 0.22 -0.23 1.03 -3.11 0.00 0.00 179.97 177.62 2klm h SER 133 N 0.35 -0.66 0.00 -3.80 0.87 0.18 0.99 113.55 111.48 2klm h SER 133 Ca 0.46 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2klm h SER 133 Cb 0.79 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2klm h SER 133 CO -0.49 -0.26 0.12 0.23 -0.53 0.00 0.00 176.83 175.90 2klm n MET 134 N -3.72 0.00 0.00 2.24 2.81 0.55 -4.67 117.12 114.34 2klm n MET 134 Ca -0.04 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2klm n MET 134 Cb 0.19 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 2klm n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2klm n GLY 135 N -1.09 2.99 3.22 3.03 0.00 0.34 -5.02 105.19 108.66 2klm n GLY 135 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2klm n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2klm n VAL 136 N -0.89 0.00 -4.18 1.61 0.31 0.86 -4.68 118.33 111.36 2klm n VAL 136 Ca 0.00 -0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 63.90 2klm n VAL 136 Cb 0.00 -0.38 -0.11 0.00 -0.91 0.00 0.00 33.84 32.44 2klm n VAL 136 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2klm s GLU 137 N -2.97 0.86 -0.11 5.55 2.02 -0.43 -2.61 118.70 121.01 2klm s GLU 137 Ca 0.50 -1.09 0.02 0.00 0.02 0.00 0.00 54.97 54.42 2klm s GLU 137 Cb -0.13 -0.70 -0.01 0.00 0.10 0.00 0.00 34.13 33.39 2klm s GLU 137 CO 0.71 0.13 -0.19 0.08 0.02 0.00 0.00 175.26 176.01 2klm s VAL 138 N -1.95 2.52 -1.89 2.63 1.01 -1.26 -3.58 120.40 117.88 2klm s VAL 138 Ca 0.03 -0.86 0.25 0.00 0.00 0.00 0.00 61.98 61.40 2klm s VAL 138 Cb -0.06 -2.01 0.14 0.00 0.00 0.00 0.00 36.38 34.45 2klm s VAL 138 CO 0.01 0.55 1.35 0.52 0.00 0.00 0.00 175.10 177.53 2klm n VAL 139 N 3.46 0.00 -1.08 2.92 0.31 0.01 -4.90 118.33 119.05 2klm n VAL 139 Ca -0.18 -0.19 -0.33 0.00 -0.01 0.00 0.00 64.34 63.62 2klm n VAL 139 Cb 0.53 0.80 0.13 0.00 -0.91 0.00 0.00 33.84 34.38 2klm n VAL 139 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2klm n GLY 140 N 1.38 -0.15 2.03 2.92 0.00 -0.95 -4.13 105.19 106.28 2klm n GLY 140 Ca 0.11 -0.50 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 2klm n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 141 N -3.32 -1.43 -1.25 4.61 0.00 -1.26 -4.73 120.51 113.14 2klm n ALA 141 Ca 0.13 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 2klm n ALA 141 Cb 0.51 -1.44 0.23 0.00 0.00 0.00 0.00 19.45 18.75 2klm n ALA 141 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2klm s PRO 142 N -3.25 -0.96 0.38 0.00 0.04 -1.26 -4.95 135.00 125.00 2klm s PRO 142 Ca 0.08 -0.18 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 2klm s PRO 142 Cb -0.01 -1.64 -0.11 0.00 0.04 0.00 0.00 34.50 32.78 2klm s PRO 142 CO 0.24 -3.52 1.45 -1.91 0.04 0.00 0.00 177.00 173.30 2klm n GLU 143 N -4.60 2.56 -4.59 4.56 2.13 -1.26 -5.00 120.64 114.44 2klm n GLU 143 Ca 0.14 0.90 -0.27 0.00 0.66 0.00 0.00 57.16 58.59 2klm n GLU 143 Cb 0.60 -2.61 -0.17 0.00 0.27 0.00 0.00 31.44 29.53 2klm n GLU 143 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2klm s VAL 144 N -1.12 1.40 0.00 6.31 1.01 -1.26 -5.13 120.40 121.61 2klm s VAL 144 Ca 0.54 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2klm s VAL 144 Cb -0.49 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 2klm s VAL 144 CO 0.63 0.42 0.00 -0.54 0.00 0.00 0.00 175.10 175.61 2klm s LYS 145 N 0.79 0.06 0.00 2.72 -0.14 -1.26 -5.10 119.74 116.81 2klm s LYS 145 Ca -0.11 -0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2klm s LYS 145 Cb -0.16 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.02 2klm s LYS 145 CO 0.02 -0.01 0.00 -3.47 -0.76 0.00 0.00 175.35 171.13 2klm n ASP 146 N 2.83 0.00 0.00 2.83 2.03 -1.26 -5.32 116.55 117.66 2klm n ASP 146 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 2klm n ASP 146 Cb 0.59 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2klm n ASP 146 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28